General Information of the Compound
| Compound ID |
CP0481441
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| Compound Name |
3-[[2,3-dihydro-1H-indene-2-carbonyl-[1-(4-fluorophenyl)ethyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C26H24FNO3
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| Molecular Weight |
417.48
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| Canonical SMILES |
CC(N(Cc1cccc(c1)C(O)=O)C(=O)C1Cc2ccccc2C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H24FNO3/c1-17(19-9-11-24(27)12-10-19)28(16-18-5-4-8-22(13-18)26(30)31)25(29)23-14-20-6-2-3-7-21(20)15-23/h2-13,17,23H,14-16H2,1H3,(H,30,31)
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| InChIKey |
WYPIGEDMZXBYSD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound